CID 43811099

868271-14-1

Structural Information

Molecular Formula

C₈H₅F₃N₂O

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=NO2)N

InChI

InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)

InChIKey

LSKOZQNIAMSAIB-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)-1,2-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 202.0354 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.04268	139.7
[M+Na]+	225.02462	149.5
[M+NH4]+	220.06922	145.6
[M+K]+	240.99856	146.7
[M-H]-	201.02812	138.0
[M+Na-2H]-	223.01007	143.6
[M]+	202.03485	140.3
[M]-	202.03595	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe